SCHEMBL5586673

SCHEMBL5586673

CCCCOc1c(O)c(OC(=O)O)c(CC)c(OCCCC)c1OCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.39
THRB P10828 4/20 0.39
ESR1 P03372 5/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PLA2G4B P0C869 2/20 0.35
RARB P10826 1/20 0.35
GSTA1 P08263 1/20 0.34
GSTP1 P09211 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5586926 0.95 THRA (0.40) THRATHRBESR1TP53TSHR
SCHEMBL5588440 0.94 THRA (0.42) THRATHRBESR1TP53TSHR
SCHEMBL5586670 0.94 THRA (0.42) THRATHRBESR1TP53TSHR
SCHEMBL5587610 0.94 THRA (0.42) THRATHRBESR1TP53TSHR
SCHEMBL5587916 0.94 THRA (0.42) THRATHRBESR1TP53TSHR
SCHEMBL5588566 0.91 THRA (0.41) THRATHRBESR1TP53TSHR
SCHEMBL5587827 0.91 GSTA1 (0.31) GSTA1GSTP1CYSLTR2CYSLTR1
SCHEMBL5589076 0.90 THRA (0.43) THRATHRBESR1TP53TSHR
SCHEMBL5587668 0.90 THRA (0.43) THRATHRBESR1TP53TSHR
SCHEMBL5588221 0.90 THRA (0.38) THRATHRBESR1TP53TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 THRA 3787/4885THRB 3757/4885ESR1 1108/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.